2,1,3-benzoxadiazol-5-ylmethyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium

Systemtic Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Openeye Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium CAS Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(5S)-2-(3-pyridinyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium IUPAC Name: 2,1,3-benzoxadiazol-5-ylmethyl-[(5S)-2-pyridin-3-yl-5,6,7,8-tetrahydroquinazolin-5-yl]azanium Traditional Name: benzofurazan-5-ylmethyl-[(5S)-2-(3-pyridyl)-5,6,7,8-tetrahydroquinazolin-5-yl]ammonium Formula: C20H19N6O+ MolecularWeight: 359.40446

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CN=C(N=C2C1)C3=CN=CC=C3)[NH2+]CC4=CC5=NON=C5C=C4

Isomeric SMILES

C1C[C@@H](C2=CN=C(N=C2C1)C3=CN=CC=C3)[NH2+]CC4=CC5=NON=C5C=C4

InChI

InChI=1S/C20H18N6O/c1-4-16(22-10-13-6-7-18-19(9-13)26-27-25-18)15-12-23-20(24-17(15)5-1)14-3-2-8-21-11-14/h2-3,6-9,11-12,16,22H,1,4-5,10H2/p+1/t16-/m0/s1